SCHEMBL4968860

SCHEMBL4968860

O=C(Cc1ncc[nH]1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 5/20 0.56
HTT P42858 4/20 0.56
TAAR1 Q96RJ0 4/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 3/20 0.55
KMT2A Q03164 3/20 0.55
TDP1 Q9NUW8 2/20 0.55
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
TBXAS1 P24557 2/20 0.45
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
PLOD2 O00469 1/20 0.44
PLOD3 O60568 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL5851393 0.98 GAA (0.59) GAASMN1; SMN2KDM4EHTTTAAR1
SCHEMBL5093427 0.83 RAB9A (0.53) GAASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL10610629 0.83 FPR2 (0.56) GAASMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL6947467 0.83 TBXAS1 (0.54) GAASMN1; SMN2KDM4EHTTTAAR1
SCHEMBL10363200 0.83 NPC1 (0.54) GAASMN1; SMN2KDM4EHTTTAAR1
SCHEMBL10514214 0.82 PTPN1 (0.50) GAASMN1; SMN2KDM4EHTTTAAR1
SCHEMBL5523501 0.82 GAA (0.47) GAASMN1; SMN2KDM4EHTTTAAR1
SCHEMBL5100101 0.81 TAAR1 (0.44) GAASMN1; SMN2KDM4EHTTTAAR1
Hydrochloric Acid SCHEMBL11445748 0.81 PTPN1 (0.49) GAASMN1; SMN2KDM4EHTTTAAR1
SCHEMBL15689594 0.80 GAA (0.69) GAASMN1; SMN2KDM4EHTTTAAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005250-B1 HYDROXYPROPYL IMIDAZOLES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM BAYER AG (DE) 1981-08-12 EP claimed
EP-0005250-A2 Hydroxypropyl imidazoles, their preparation and medicaments containing them BAYER AG (DE) 1979-11-14 EP claimed
JP-61280481-A None JP disclosed
JP-3161439-A None JP disclosed
JP-62072674-A None JP disclosed
JP-1128981-A None JP disclosed
CN-106047183-B Anaerobic curing composition 汉高知识产权控股有限责任公司 2018-03-02 CN disclosed
WO-2018013625-A1 DEUTERATED MICONAZOLE CONCERT PHARMACEUTICALS, INC. (US) 2018-01-18 WO disclosed
CN-106047183-A ANAEROBICALLY CURABLE COMPOSITIONS 汉高知识产权控股有限责任公司 2016-10-26 CN disclosed
CN-102549059-B Anaerobic curing composition Henkel IP & Holding GmbH (DE) 2016-05-18 CN disclosed
CN-101743260-B Heat resistant anaerobically curable compositions THE DIAL CORP. (DE) 2015-12-16 CN disclosed
EP-0019190-B1 USE OF HYDROXYALKYL-IMIDAZOLES AS FUNGICIDES BAYER AG (DE) 1983-03-30 EP disclosed
EP-0031883-B1 ANTIMICROBIAL AGENT CONTAINING HYDROXY BUTYLIMIDAZOLE DERIVATIVES BAYER AG (DE) 1983-03-02 EP disclosed
EP-0072623-A1 Imidazole antifungal agents Pfizer Limited (GB) 1983-02-23 EP disclosed
EP-0005250-B1 HYDROXYPROPYL IMIDAZOLES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM BAYER AG (DE) 1981-08-12 EP disclosed
EP-0031883-A1 Antimicrobial agent containing hydroxy butylimidazole derivatives BAYER AG (DE) 1981-07-15 EP disclosed
EP-0029542-A2 Hydroxybutyl-imidazole derivatives, process for their preparation, intermediates necessary for the latter and their use as fungicides BAYER AG (DE) 1981-06-03 EP disclosed
US-4246274-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
EP-0019190-A2 Use of hydroxyalkyl-imidazoles as fungicides BAYER AG (DE) 1980-11-26 EP disclosed
EP-0005250-A2 Hydroxypropyl imidazoles, their preparation and medicaments containing them BAYER AG (DE) 1979-11-14 EP disclosed